SCHEMBL25979519

SCHEMBL25979519

CCCCCCC(C)(C)c1c[nH]nn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.36
CNR1 P21554 8/20 0.34
NR1H4 Q96RI1 4/20 0.34
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20066540 0.86 S1PR4 (0.32) CNR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL23692666 0.86 S1PR4 (0.32) CNR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL19928210 0.86 S1PR4 (0.32) CNR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL26372213 0.77 HMGCR (0.34)
SCHEMBL22023802 0.72 CNR2 (0.36) CNR2CNR1
SCHEMBL22023644 0.72 CNR2 (0.40) CNR2CNR1
SCHEMBL21982478 0.72 CNR2 (0.31) CNR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL25619200 0.72 S1PR4 (0.30) S1PR4S1PR1S1PR3S1PR5
SCHEMBL25469249 0.70 CNR2 (0.33) CNR2CNR1
SCHEMBL18857358 0.70 CNR2 (0.33) CNR2CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT CNR2 1551/4885CNR1 1424/4885NR1H4 2850/4885
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, RNASE1 CNR2 4690/4885CNR1 4480/4885NR1H4 631/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.